SCHEMBL6856447

SCHEMBL6856447

CC(C)NC(=O)Cc1cc2cc(OC3CCN(CC(F)(F)F)CC3)ccc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
P2RX3 P56373 6/20 0.37
P2RX2 Q9UBL9 6/20 0.37
HRH3 Q9Y5N1 3/20 0.37
AVPR1B P47901 3/20 0.37
CSF1R P07333 1/20 0.36
FLT3 P36888 1/20 0.36
SGK1 O00141 2/20 0.36
ERBB2 P04626 1/20 0.36
EPHX2 P34913 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6857457 0.90 HRH1 (0.43) ACACB
SCHEMBL6857227 0.89 HRH3 (0.48) ACACBHRH3AVPR1B
SCHEMBL6856694 0.89 HRH3 (0.41) ACACBHRH3AVPR1B
SCHEMBL6856885 0.88 HRH3 (0.44) ACACBHRH3AVPR1B
SCHEMBL6856624 0.88 AVPR1B (0.43) ACACBHRH3AVPR1B
SCHEMBL6856819 0.87 AVPR1B (0.41) ACACBHRH3AVPR1BEPHX2
SCHEMBL6857218 0.87 ACACB (0.45) ACACBHRH3AVPR1B
SCHEMBL6856195 0.84 MALT1 (0.44) ACACBHRH3EPHX2
SCHEMBL6857032 0.82 AVPR1B (0.48) HRH3AVPR1B
SCHEMBL6857044 0.81 AVPR1B (0.48) HRH3AVPR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 WO disclosed